Geometry & MOs

Info

ID:	248197
PubChem CID:	103079628
Reduced:	OSN3C7H13 (1)
Stoich.:	ABC3D7E13 (1)
Weight, g/mol:	253.044046
ΔH_f, kcal/mol:	-14.95
Dipole, Da:	4.58
IP(EA), eV:	-8.55(0.24)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[(4-chlorophenyl)methylsulfanyl]-1-methylpyrazol-4-amine

Drug info:

PubChemData

Smile

CC(CO)SC1=NN(C=C1N)C

DOS

IR

Vibrations